Geometry & MOs

Info

ID:	68002
PubChem CID:	46507583
Reduced:	N2O5C18H18 (1)
Stoich.:	A2B5C18D18 (1)
Weight, g/mol:	346.03429
ΔH_f, kcal/mol:	-105.15
Dipole, Da:	4.17
IP(EA), eV:	-8.46(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-chloro-2-(3-fluoro-4-methylphenyl)iminochromene-3-carbothioamide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)NC(=O)C\2CC3=C(C(=CC=C3)OC)O/C2=N\O

DOS

IR

Vibrations